4-Bromo-1,2-bis(trifluoromethyl)benzene

Base Information

• Chemical Name: 4-Bromo-1,2-bis(trifluoromethyl)benzene
• CAS No.: 320-29-6
• Molecular Formula: C8H3BrF6
• Molecular Weight: 293.006
• Hs Code.: 2902900000
• European Community (EC) Number: 846-928-7
• Mol file: 320-29-6.mol

Synonyms:4-bromo-1,2-bis(trifluoromethyl)benzene;320-29-6;3,4-Bis(trifluoromethyl)bromobenzene;MFCD06253758;SCHEMBL6267032;SVWLLRHUNXRVOS-UHFFFAOYSA-N;BBL103601;STL557411;AKOS003587362;AM62320;DS-8772;CS-0157151;FT-0764925;EN300-760926;A856687

Chemical Property of 4-Bromo-1,2-bis(trifluoromethyl)benzene

Chemical Property:

• Melting Point: -48.0--47.0 °C
• Boiling Point: 87.0 °C(Press: 40 Torr)
• PSA: 0.00000
• Density: 1.697±0.06 g/cm3(Predicted)
• LogP: 4.48670
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 291.93223
• Heavy Atom Count: 15
• Complexity: 220

Purity/Quality:

98%min ^*data from raw suppliers

4-Bromo-1,2-bis(trifluoromethyl)benzene 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Br)C(F)(F)F)C(F)(F)F

Technology Process of 4-Bromo-1,2-bis(trifluoromethyl)benzene

There total 3 articles about 4-Bromo-1,2-bis(trifluoromethyl)benzene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 80.0%

benzene-1,2-dicarboxylic acid (88-99-3,73607-73-5) → 3,5-ditrifluoromethylbromobenzene (320-29-6)

Guidance literature:

With sulfur tetrafluoride; hydrogen fluoride; bromine; at 120 ℃; for 12h;

Reference yield:

1,2-bis(trifluoromethyl)benzene (433-95-4) → 3,5-ditrifluoromethylbromobenzene (320-29-6)

Guidance literature:

With antimonypentachloride; bromine; chlorine; at 125 ℃; under 20594.2 Torr;

DOI:10.1021/ja01160a063

Reference yield:

benzene-1,2-dicarboxylic acid (88-99-3,73607-73-5) → 4,5-Bis(trifluormethyl)dibrombenzol (64219-36-9) + 3,5-ditrifluoromethylbromobenzene (320-29-6)

Guidance literature:

With sulfur tetrafluoride; hydrogen fluoride; bromine; at 160 ℃; for 12h; Yield given. Yields of byproduct given;

upstream raw materials:

1,2-bis(trifluoromethyl)benzene

benzene-1,2-dicarboxylic acid

Downstream raw materials:

9-(4-Bromo-2-trifluoromethyl-phenyl)-1,2,3,9-tetrahydro-carbazol-4-one

Refernces